Correction: Describing the adsorption of doxorubicin on a PAMAM dendrimer by ab initio calculations

Abstract

Correction for ‘Describing the adsorption of doxorubicin on a PAMAM dendrimer by ab initio calculations’ by Handriela Hoff de Oliveira Sobrinho et al., Mol. Syst. Des. Eng., 2023, https://doi.org/10.1039/d3me00060e.

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The authors regret that in Table 1 the column headings were incorrect. The correct version of the table is shown here.

Table 1 Calculated band gap (E_g), O–H distance (d_O–H), and binding energies (E_b) for all the interaction sites

Site	G0/DOX			G0·NHAc·FA/DOX			G0·NHAc·FA/DOX·cis
	E g (eV)	d O–H (Å)	E b (eV)	E g (eV)	d O–H (Å)	E b (eV)	E g (eV)	d O–H (Å)	E b (eV)
1	0.79	1.98	−0.63	0.80	2.13	−0.67	0.85	2.17	−0.55
2	0.75	2.18	−0.57	0.78	2.19	−0.57	0.88	2.27	−0.82
3	0.78	2.10	−0.64	0.82	2.21	−0.81	0.89	2.11	−0.76
4	0.81	1.97	−0.65	0.87	2.05	−0.75	1.02	2.44	−0.81
5	0.83	2.36	−0.58	0.88	2.37	−0.72	0.90	2.28	−0.90
6	0.77	2.05	−0.33	0.87	2.06	−0.59	0.98	2.08	−0.56
7	0.82	2.12	−0.58	0.82	2.06	−0.73	0.88	2.03	−0.74
8	0.83	2.12	−0.58	0.85	2.20	−0.90	0.92	2.07	−0.87
9	0.83	2.92	−0.82	0.87	3.02	−1.12	1.03	2.16	−0.75
10	0.85	2.00	−0.74	0.84	2.03	−0.76	1.03	2.16	−0.68
11	0.82	2.46	−0.46	0.83	2.50	−0.61	0.76	2.76	−0.99

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This correction has no influence on the results and conclusions of the paper.

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

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